CID 15727328

15753-48-7

Structural Information

Molecular Formula
C7H14O2
SMILES
C1C[C@H](C[C@H](C1)O)CO
InChI
InChI=1S/C7H14O2/c8-5-6-2-1-3-7(9)4-6/h6-9H,1-5H2/t6-,7+/m1/s1
InChIKey
PFXRPUFYSLHDMF-RQJHMYQMSA-N
Compound name
cis-(1S,3R)-3-(hydroxymethyl)cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

130.09938 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.106656 127.9
[M+Na]+ 153.088598 133.0
[M-H]- 129.092104 128.2
[M+NH4]+ 148.133203 148.5
[M+K]+ 169.062538 131.5
[M+H-H2O]+ 113.096640 123.2
[M+HCOO]- 175.097581 146.1
[M+CH3COO]- 189.113231 166.2
[M+Na-2H]- 151.074046 132.4
[M]+ 130.09883142 122.2
[M]- 130.09992858 122.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe